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Characterizing CO2 Reduction Catalysts on Gas Diffusion Electrodes: Comparing Activity, Selectivity, and Stability of Transition Metal Catalysts

Burdyny, T.E. (author), Sassenburg, M. (author), de Rooij, R. (author), Nessbit, Nathan (author), Kas, R. (author), Chandrashekar, S. (author), Firet, N.J. (author), Yang, K. (author), Liu, K. (author), Blommaert, M.A. (author), Kolen, M. (author), Ripepi, D. (author), Smith, W.A. (author)

Continued advancements in the electrochemical reduction of CO 2 (CO 2RR) have emphasized that reactivity,selectivity, and stability are not explicit material properties butcombined effects of the catalyst, double-layer, reaction environ-<br/>ment, and system configuration. These realizations have steadily built upon the foundational work...

journal article 2022

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Electrochemical CO₂Reduction over Metal-/Nitrogen-Doped Graphene Single-Atom Catalysts Modeled Using the Grand-Canonical Density Functional Theory

Brimley, Paige (author), Almajed, Hussain (author), Alsunni, Yousef (author), Alherz, Abdulaziz W. (author), Bare, Zachary J.L. (author), Smith, W.A. (author), Musgrave, Charles B. (author)

Renewably driven, electrochemical conversion of carbon dioxide into value-added products is expected to be a critical tool in global decarbonization. However, theoretical studies based on the computational hydrogen electrode largely ignore the nonlinear effects of the applied potential on the calculated results, leading to inaccurate...

journal article 2022

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Thermodynamics up to the melting point in a TaVCrW high entropy alloy: Systematic ab initio study aided by machine learning potentials

Zhou, Ying (author), Srinivasan, Prashanth (author), Körmann, F.H.W. (author), Grabowski, Blazej (author), Smith, Roger (author), Goddard, Pooja (author), Duff, Andrew Ian (author)

Multi-principal-component alloys have attracted great interest as a novel paradigm in alloy design, with often unique properties and a vast compositional space auspicious for materials discovery. High entropy alloys (HEAs) belong to this class and are being investigated for prospective nuclear applications with reported superior mechanical...

journal article 2022

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Modeling the Local Environment within Porous Electrode during Electrochemical Reduction of Bicarbonate

Kas, Recep (author), Yang, K. (author), Yewale, Gaurav P. (author), Crow, Allison (author), Burdyny, T.E. (author), Smith, W.A. (author)

The electrochemical reduction of bicarbonate to renewable chemicals without external gaseous CO2 supply has been motivated as a means of integrating conversion with upstream CO2 capture. The way that CO2 is formed and transported during CO2-mediated bicarbonate reduction in flow cells is profoundly different from conventional CO2 saturated...

journal article 2022

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A promising fuel for fast neutron spectrum Molten Salt Reactor: NaCl-ThCl₄-PuCl₃

Dumaire, T. (author), Ocadiz flores, J.A. (author), Konings, R. (author), Smith, A.L. (author)

Chloride salts are considered a good alternative to fluoride salts as fuel carrier in the Molten Salt Fast Reactor concepts. The NaCl–ThCl4–PuCl3 fuel salt solution seems very promising, with low melting temperature eutectic compositions, and the potential to be used in a breeder and burner type of reactor design. This work focuses on the...

journal article 2022

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Biochemistry shapes growth kinetics of nitrifiers and defines their activity under specific environmental conditions

Martinez-Rabert, Eloi (author), Smith, Cindy J. (author), Sloan, William T. (author), Gonzalez Cabaleiro, R. (author)

Is it possible to find trends between the parameters that define microbial growth to help us explain the vast microbial diversity? Through an extensive database of kinetic parameters of nitrifiers, we analyzed if the dominance of specific populations of nitrifiers could be predicted and explained. We concluded that, in general, higher growth...

journal article 2022

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Closed-loop active object recognition with constrained illumination power

Noom, J. (author), Soloviev, O.A. (author), Smith, C.S. (author), Verhaegen, M.H.G. (author)

Some applications require high level of image-based classification certainty while keeping the total illumination energy as low as possible. Examples are minimally invasive visual inspection in Industry 4.0, and medical imaging systems such as computed tomography, in which the radiation dose should be kept “as low as is reasonably achievable”...

conference paper 2022

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Using the Quasi-chemical formalism beyond the phase Diagram: Density and viscosity models for molten salt fuel systems

Ocadiz flores, J.A. (author), Konings, R. (author), Smith, A.L. (author)

CALPHAD models to compute the density and viscosity of four keystone systems related to Molten Salt Reactor (MSR) technology have been optimized: NaCl-UCl₃, LiF-ThF₄, LiF-UF₄, and LiF-ThF₄-UF₄. Revised thermodynamic assessments of all four systems, using the modified quasichemical...

journal article 2022

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Baseball Drag Measurements in Free Flight

Smith, Lloyd (author), Sciacchitano, A. (author)

While baseball is a popular sport with a storied history, the aerodynamic properties of the seamed sports ball are not fully understood. Reported aerodynamic baseball behaviors are primarily based on force measurements from wind tunnels. The following describes a methodology to measure baseball drag in free flight from changes in its speed. The...

journal article 2022

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Global correction of optical distortions in multicolor single-molecule microscopy using Zernike polynomial gradients

Mc Cluskey, K.A. (author), van Veen, E.N.W. (author), Cnossen, J.P. (author), Wesselink, W.J. (author), Asscher, F.M. (author), Smith, C.S. (author), Dekker, N.H. (author)

Accurate image alignment is critical in multicolor single-molecule fluorescence microscopy. Global alignment using affine transformations leaves residual errors due to the nonlinearity of the distortions, which decreases the effective field of view. Subsequent local refinement demands either large amounts of reference data and processing time...

journal article 2021

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The ethical application of biometric facial recognition technology

Smith, Marcus (author), Miller, S.R.M. (author)

Biometric facial recognition is an artificial intelligence technology involving the automated comparison of facial features, used by law enforcement to identify unknown suspects from photographs and closed circuit television. Its capability is expanding rapidly in association with artificial intelligence and has great potential to solve crime...

journal article 2021

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Thermodynamic Description of the ACl-ThCl4 (A = Li, Na, K) Systems

Ocadiz flores, J.A. (author), Rooijakkers, B.A.S. (author), Konings, R. (author), Smith, A.L. (author)

The ACl-ThCl (Formula presented.) (A = Li, Na, K) systems could be of relevance to the nuclear industry in the near future. A thermodynamic investigation of the three binary systems is presented herein. The excess Gibbs energy of the liquid solutions is described using the quasi-chemical formalism in the quadruplet approximation. The phase...

journal article 2021

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Assessing Silver Palladium Alloys for Electrochemical CO₂ Reduction in Membrane Electrode Assemblies

Chandrashekar, S. (author), Geerlings, J.J.C. (author), Smith, W.A. (author)

The field of electrochemical CO₂ reduction has been transitioning to industrially relevant scales by changing the architecture of the electrochemical cells and moving away from the traditional aqueous H-cells to membrane electrode assemblies (MEA). The reaction environments in MEAs vary drastically from that of aqueous H-cells,...

journal article 2021

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Cation-Driven Increases of CO₂Utilization in a Bipolar Membrane Electrode Assembly for CO₂Electrolysis

Yang, K. (author), Li, Mengran (author), Subramanian, S.S. (author), Blommaert, M.A. (author), Smith, W.A. (author), Burdyny, T.E. (author)

Advancing reaction rates for electrochemical CO2 reduction in membrane electrode assemblies (MEAs) have boosted the promise of the technology while exposing new shortcomings. Among these is the maximum utilization of CO2, which is capped at 50% (CO as targeted product) due to unwanted homogeneous reactions. Using bipolar membranes in an MEA ...

journal article 2021

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Role of the Carbon-Based Gas Diffusion Layer on Flooding in a Gas Diffusion Electrode Cell for Electrochemical CO₂ Reduction

Yang, K. (author), Kas, Recep (author), Smith, W.A. (author), Burdyny, T.E. (author)

The deployment of gas diffusion electrodes (GDEs) for the electrochemical CO2 reduction reaction (CO2RR) has enabled current densities an order of magnitude greater than those of aqueous H cells. The gains in production, however, have come with stability challenges due to rapid flooding of GDEs, which frustrate both laboratory experiments and...

journal article 2021

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Orientation of a bipolar membrane determines the dominant ion and carbonic species transport in membrane electrode assemblies for CO₂reduction

Blommaert, M.A. (author), sharifian, rezvan (author), Shah, N. (author), Nesbitt, N.T. (author), Smith, W.A. (author), Vermaas, D.A. (author)

A bipolar membrane (BPM), consisting of a cation and an anion exchange layer (CEL and AEL), can be used in an electrochemical cell in two orientations: reverse bias and forward bias. A reverse bias is traditionally used to facilitate water dissociation and control the pH at either side. A forward bias has been proposed for several...

journal article 2021

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Thermodynamic Assessment of the AF–CrF3 (A = Li, Na, K) and CrF2–CrF3 Systems

Dumaire, T. (author), Konings, R. (author), Smith, A.L. (author)

Understanding the corrosion mechanisms and the effect of corrosion products on the basic properties of the salt (e.g., melting point, heat capacity) is fundamental for the safety assessment and durability of molten salt reactor technology. This work focused on the thermodynamic assessment of the CrF2−CrF3 system and the binary systems of...

journal article 2021

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Biometric Identification, Law and Ethics

Smith, Marcus (author), Miller, S.R.M. (author)

This book undertakes a multifaceted and integrated examination of biometric identification, including the current state of the technology, how it is being used, the key ethical issues, and the implications for law and regulation. The five chapters examine the main forms of contemporary biometrics–fingerprint recognition, facial recognition and...

book 2021

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New insights into the Cs-Mo-O system: Experimental studies of the Cs₂MoO₄-MoO₃ pseudo-binary system

Smith, A.L. (author), Vlieland, J. (author), Pignié, M. C. (author), Abbink, M. (author), Mikaelian, G. (author), Benigni, P. (author)

The ternary cesium molybdates Cs₂Mo₂O₇, Cs₂Mo₃O₁₀, Cs₂Mo₅O₁₆ and Cs₂Mo₇O₂₂ have been synthesized in this work using a solid state route and their structures have been characterized using X-ray diffraction. The...

journal article 2021

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Experimental studies and thermodynamic assessment of the Ba-Mo-O system by the CALPHAD method

Smith, A.L. (author), Rutten, M. (author), Herrmann, L. (author), Epifano, E. (author), Konings, R. (author), Colineau, E. (author), Griveau, J. C. (author), Guéneau, C. (author), Dupin, N. (author)

Thermodynamic measurements on BaMoO₄, BaMoO₃ and BaMo₃O₁₀ are reported, that served as input for the development of a thermodynamic model of the Ba-Mo-O system using the CALPHAD methodology. The valence states of molybdenum in BaMoO₄ and BaMoO₃ were confirmed to be VI and IV,...

journal article 2021